2-(1,4-dioxaspiro[4.5]decan-7-yloxy)ethanol

C10H18O4 — CID 71322072

IUPAC2-(1,4-dioxaspiro[4.5]decan-7-yloxy)ethanol
SMILESOCCOC1CCCC2(C1)OCCO2
InChIInChI=1S/C10H18O4/c11-4-5-12-9-2-1-3-10(8-9)13-6-7-14-10/h9,11H,1-8H2
InChIKeyONKKNQWNOJGGHO-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.68
Rot. Bonds3

About 2-(1,4-dioxaspiro[4.5]decan-7-yloxy)ethanol

2-(1,4-dioxaspiro[4.5]decan-7-yloxy)ethanol (PubChem CID 71322072) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]decan-7-yloxy)ethanol.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]decan-7-yloxy)ethanol
PubChem CID71322072
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2-(1,4-dioxaspiro[4.5]decan-7-yloxy)ethanol
SMILESOCCOC1CCCC2(C1)OCCO2
InChIInChI=1S/C10H18O4/c11-4-5-12-9-2-1-3-10(8-9)13-6-7-14-10/h9,11H,1-8H2
InChIKeyONKKNQWNOJGGHO-UHFFFAOYSA-N
XLogP0.68
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-7-yloxy)ethanol?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-7-yloxy)ethanol (CID 71322072) is 2-(1,4-dioxaspiro[4.5]decan-7-yloxy)ethanol.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]decan-7-yloxy)ethanol?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]decan-7-yloxy)ethanol is OCCOC1CCCC2(C1)OCCO2.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]decan-7-yloxy)ethanol?
The InChIKey is ONKKNQWNOJGGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c11-4-5-12-9-2-1-3-10(8-9)13-6-7-14-10/h9,11H,1-8H2.
What are the key properties of 2-(1,4-dioxaspiro[4.5]decan-7-yloxy)ethanol?
2-(1,4-dioxaspiro[4.5]decan-7-yloxy)ethanol has a molecular weight of 202.25 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.5]decan-7-yloxy)ethanol is sourced from PubChem (CID 71322072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).